N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide

C19H27N3O2 — CID 97196232

IUPACN-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN1C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)CCC1=O
InChIInChI=1S/C19H27N3O2/c1-21-14-17(9-10-18(21)23)20-19(24)16-7-5-15(6-8-16)13-22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyWIOBBJFZOYAJLE-QGZVFWFLSA-N
MW329.44 g/mol
LogP2.02
Rot. Bonds4

About N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide

N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 97196232) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID97196232
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN1C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)CCC1=O
InChIInChI=1S/C19H27N3O2/c1-21-14-17(9-10-18(21)23)20-19(24)16-7-5-15(6-8-16)13-22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyWIOBBJFZOYAJLE-QGZVFWFLSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-(1-methyl-6-oxopiperidin-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 64668240
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091
(2S,4S)-4-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]thiolane-2-carboxylic acid
CID 166284837
4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 125436273
3-(3-hydroxy-3-methylbutyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894197
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894196
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide (CID 97196232) is N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide is CN1C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)CCC1=O.
What is the InChIKey of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is WIOBBJFZOYAJLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-14-17(9-10-18(21)23)20-19(24)16-7-5-15(6-8-16)13-22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3,(H,20,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 97196232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).